N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide

C18H21N3O5S — CID 5305187

IUPACN-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide
SMILESCCOc1ccccc1-c1noc(CN(Cc2ccco2)S(=O)(=O)CC)n1
InChIInChI=1S/C18H21N3O5S/c1-3-24-16-10-6-5-9-15(16)18-19-17(26-20-18)13-21(27(22,23)4-2)12-14-8-7-11-25-14/h5-11H,3-4,12-13H2,1-2H3
InChIKeyJLSQPHNVPGBPIK-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.08
Rot. Bonds9

About N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide

N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide (PubChem CID 5305187) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide
PubChem CID5305187
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide
SMILESCCOc1ccccc1-c1noc(CN(Cc2ccco2)S(=O)(=O)CC)n1
InChIInChI=1S/C18H21N3O5S/c1-3-24-16-10-6-5-9-15(16)18-19-17(26-20-18)13-21(27(22,23)4-2)12-14-8-7-11-25-14/h5-11H,3-4,12-13H2,1-2H3
InChIKeyJLSQPHNVPGBPIK-UHFFFAOYSA-N
XLogP3.08
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide (CID 5305187) is N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide is CCOc1ccccc1-c1noc(CN(Cc2ccco2)S(=O)(=O)CC)n1.
What is the InChIKey of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide?
The InChIKey is JLSQPHNVPGBPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-3-24-16-10-6-5-9-15(16)18-19-17(26-20-18)13-21(27(22,23)4-2)12-14-8-7-11-25-14/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide?
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 5305187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).